N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline

C118H149ClF8N14O16S7-6 — CID 159818953

About N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline

N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline (PubChem CID 159818953) has the molecular formula C118H149ClF8N14O16S7-6 and a molecular weight of 2431.48 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline.

Molecular Properties

• Compound Name: N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline
• PubChem CID: 159818953
• Molecular Formula: C118H149ClF8N14O16S7-6
• Molecular Weight: 2431.48 g/mol
• Exact Mass: 2428.89
• IUPAC Name: N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline
• SMILES: CC(C)(C)c1ccc(NCc2ccc(N)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].COc1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.Nc1ccc(CNc2c(F)cc(F)cc2F)cc1.Nc1ccc(CNc2ccc(Cl)cc2)cc1.Nc1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1.Nc1ccc(CNc2cccc(F)c2)cc1.Nc1ccc(CNc2ccccc2F)cc1
• InChI: InChI=1S/C17H22N2O3S.C17H22N2.C14H13F3N2O.C13H13ClN2.C13H11F3N2.2C13H13FN2.6C3H8O2S/c1-13(2)23(20,21)19-16-6-4-14(5-7-16)12-18-15-8-10-17(22-3)11-9-15;1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13;15-14(16,17)20-13-7-5-12(6-8-13)19-9-10-1-3-11(18)4-2-10;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;14-9-5-11(15)13(12(16)6-9)18-7-8-1-3-10(17)4-2-8;14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10;14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10;6*1-3(2)6(4)5/h4-11,13,18-19H,12H2,1-3H3;4-11,19H,12,18H2,1-3H3;1-8,19H,9,18H2;1-8,16H,9,15H2;1-6,18H,7,17H2;2*1-8,16H,9,15H2;6*3H,1-2H3,(H,4,5)/p-6
• InChIKey: GSLWMOBEPVJGKY-UHFFFAOYSA-H
• XLogP: 25.93
• TPSA: 545.74 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2431.48
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline?

The IUPAC name of N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline (CID 159818953) is N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline.

What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline?

The canonical SMILES for N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline is CC(C)(C)c1ccc(NCc2ccc(N)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].COc1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.Nc1ccc(CNc2c(F)cc(F)cc2F)cc1.Nc1ccc(CNc2ccc(Cl)cc2)cc1.Nc1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1.Nc1ccc(CNc2cccc(F)c2)cc1.Nc1ccc(CNc2ccccc2F)cc1.

What is the InChIKey of N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline?

The InChIKey is GSLWMOBEPVJGKY-UHFFFAOYSA-H. The full InChI is InChI=1S/C17H22N2O3S.C17H22N2.C14H13F3N2O.C13H13ClN2.C13H11F3N2.2C13H13FN2.6C3H8O2S/c1-13(2)23(20,21)19-16-6-4-14(5-7-16)12-18-15-8-10-17(22-3)11-9-15;1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13;15-14(16,17)20-13-7-5-12(6-8-13)19-9-10-1-3-11(18)4-2-10;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;14-9-5-11(15)13(12(16)6-9)18-7-8-1-3-10(17)4-2-8;14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10;14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10;6*1-3(2)6(4)5/h4-11,13,18-19H,12H2,1-3H3;4-11,19H,12,18H2,1-3H3;1-8,19H,9,18H2;1-8,16H,9,15H2;1-6,18H,7,17H2;2*1-8,16H,9,15H2;6*3H,1-2H3,(H,4,5)/p-6.

What are the key properties of N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline?

N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline has a molecular weight of 2431.48 g/mol, XLogP of 25.93, 32 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline is sourced from PubChem (CID 159818953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).